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

Systemtic Name: 3-[3-azanyl-4-(4-methylpiperidin-1-yl)phenyl]propyl-pentyl-azanium Openeye Name: 3-[3-amino-4-(4-methyl-1-piperidyl)phenyl]propyl-pentyl-ammonium CAS Name: 3-[3-amino-4-(4-methyl-1-piperidinyl)phenyl]propyl-pentylammonium IUPAC Name: 3-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]propyl-pentylazanium Traditional Name: 3-[3-amino-4-(4-methylpiperidino)phenyl]propyl-amyl-ammonium Formula: C20H36N3+ MolecularWeight: 318.51994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H35N3/c1-3-4-5-12-22-13-6-7-18-8-9-20(19(21)16-18)23-14-10-17(2)11-15-23/h8-9,16-17,22H,3-7,10-15,21H2,1-2H3/p+1