3-[2-[(4-carbamimidoylpiperazin-1-ium-1-yl)methyl]-4-methoxy-phenoxy]propylazanium

Systemtic Name: 3-[2-[(4-carbamimidoylpiperazin-1-ium-1-yl)methyl]-4-methoxy-phenoxy]propylazanium Openeye Name: 3-[2-[(4-carbamimidoylpiperazin-1-ium-1-yl)methyl]-4-methoxy-phenoxy]propylammonium CAS Name: 3-[2-[(4-carbamimidoyl-1-piperazin-1-iumyl)methyl]-4-methoxyphenoxy]propylammonium IUPAC Name: 3-[2-[(4-carbamimidoylpiperazin-1-ium-1-yl)methyl]-4-methoxyphenoxy]propylazanium Traditional Name: 3-[2-[(4-amidinopiperazin-1-ium-1-yl)methyl]-4-methoxy-phenoxy]propylammonium Formula: C16H29N5O2+2 MolecularWeight: 323.43376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OCCC[NH3+])C[NH+]2CCN(CC2)C(=N)N

Isomeric SMILES

COC1=CC(=C(C=C1)OCCC[NH3+])C[NH+]2CCN(CC2)C(=N)N

InChI

InChI=1S/C16H27N5O2/c1-22-14-3-4-15(23-10-2-5-17)13(11-14)12-20-6-8-21(9-7-20)16(18)19/h3-4,11H,2,5-10,12,17H2,1H3,(H3,18,19)/p+2