3-[3-azanyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one

Systemtic Name: 3-[3-azanyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one Openeye Name: 3-[3-amino-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-[(2R)-2-methyl-1-piperidyl]propan-1-one CAS Name: 3-[3-amino-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-1-[(2R)-2-methyl-1-piperidinyl]-1-propanone IUPAC Name: 3-[3-amino-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one Traditional Name: 3-[3-amino-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-[(2R)-2-methylpiperidino]propan-1-one Formula: C20H33N4O+ MolecularWeight: 345.50222

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CCC2=CC(=C(C=C2)N3CC[NH+](CC3)C)N

Isomeric SMILES

C[C@@H]1CCCCN1C(=O)CCC2=CC(=C(C=C2)N3CC[NH+](CC3)C)N

InChI

InChI=1S/C20H32N4O/c1-16-5-3-4-10-24(16)20(25)9-7-17-6-8-19(18(21)15-17)23-13-11-22(2)12-14-23/h6,8,15-16H,3-5,7,9-14,21H2,1-2H3/p+1/t16-/m1/s1