3-[3-azanyl-4-(4-methylpiperidin-1-yl)phenyl]propyl-hexyl-azanium

Systemtic Name: 3-[3-azanyl-4-(4-methylpiperidin-1-yl)phenyl]propyl-hexyl-azanium Openeye Name: 3-[3-amino-4-(4-methyl-1-piperidyl)phenyl]propyl-hexyl-ammonium CAS Name: 3-[3-amino-4-(4-methyl-1-piperidinyl)phenyl]propyl-hexylammonium IUPAC Name: 3-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]propyl-hexylazanium Traditional Name: 3-[3-amino-4-(4-methylpiperidino)phenyl]propyl-hexyl-ammonium Formula: C21H38N3+ MolecularWeight: 332.54652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[NH2+]CCCC1=CC(=C(C=C1)N2CCC(CC2)C)N

Isomeric SMILES

CCCCCC[NH2+]CCCC1=CC(=C(C=C1)N2CCC(CC2)C)N

InChI

InChI=1S/C21H37N3/c1-3-4-5-6-13-23-14-7-8-19-9-10-21(20(22)17-19)24-15-11-18(2)12-16-24/h9-10,17-18,23H,3-8,11-16,22H2,1-2H3/p+1