(2R)-2-[4-[1-(1-azanylethylidene)piperidin-1-ium-4-yl]oxyphenyl]-3-(7-carbamimidoylnaphthalen-2-yl)propanoic acid

Systemtic Name: (2R)-2-[4-[1-(1-azanylethylidene)piperidin-1-ium-4-yl]oxyphenyl]-3-(7-carbamimidoylnaphthalen-2-yl)propanoic acid Openeye Name: (2R)-2-[4-[1-(1-aminoethylidene)piperidin-1-ium-4-yl]oxyphenyl]-3-(7-carbamimidoyl-2-naphthyl)propanoic acid CAS Name: (2R)-2-[4-[[1-(1-aminoethylidene)-4-piperidin-1-iumyl]oxy]phenyl]-3-(7-carbamimidoyl-2-naphthalenyl)propanoic acid IUPAC Name: (2R)-2-[4-[1-(1-aminoethylidene)piperidin-1-ium-4-yl]oxyphenyl]-3-(7-carbamimidoylnaphthalen-2-yl)propanoic acid Traditional Name: (2R)-3-(7-amidino-2-naphthyl)-2-[4-[1-(1-aminoethylidene)piperidin-1-ium-4-yl]oxyphenyl]propionic acid Formula: C27H31N4O3+ MolecularWeight: 459.56004

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[N+]1CCC(CC1)OC2=CC=C(C=C2)C(CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C(=O)O)N

Isomeric SMILES

CC(=[N+]1CCC(CC1)OC2=CC=C(C=C2)[C@@H](CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C(=O)O)N

InChI

InChI=1S/C27H30N4O3/c1-17(28)31-12-10-24(11-13-31)34-23-8-6-20(7-9-23)25(27(32)33)15-18-2-3-19-4-5-21(26(29)30)16-22(19)14-18/h2-9,14,16,24-25,28H,10-13,15H2,1H3,(H4,29,30,32,33)/p+1/t25-/m1/s1