1-(2-azanyl-4-methyl-pentyl)-N-(3-methylbutyl)-N-(4-phenylmethoxyphenyl)piperidin-1-ium-1-amine

Systemtic Name: 1-(2-azanyl-4-methyl-pentyl)-N-(3-methylbutyl)-N-(4-phenylmethoxyphenyl)piperidin-1-ium-1-amine Openeye Name: 1-(2-amino-4-methyl-pentyl)-N-(4-benzyloxyphenyl)-N-isopentyl-piperidin-1-ium-1-amine CAS Name: 1-(2-amino-4-methylpentyl)-N-(3-methylbutyl)-N-(4-phenylmethoxyphenyl)-1-piperidin-1-iumamine IUPAC Name: 1-(2-amino-4-methylpentyl)-N-(3-methylbutyl)-N-(4-phenylmethoxyphenyl)piperidin-1-ium-1-amine Traditional Name: [1-(2-amino-4-methyl-pentyl)piperidin-1-ium-1-yl]-(4-benzoxyphenyl)-isoamyl-amine Formula: C29H46N3O+ MolecularWeight: 452.69504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C1=CC=C(C=C1)OCC2=CC=CC=C2)[N+]3(CCCCC3)CC(CC(C)C)N

Isomeric SMILES

CC(C)CCN(C1=CC=C(C=C1)OCC2=CC=CC=C2)[N+]3(CCCCC3)CC(CC(C)C)N

InChI

InChI=1S/C29H46N3O/c1-24(2)17-18-31(32(19-9-6-10-20-32)22-27(30)21-25(3)4)28-13-15-29(16-14-28)33-23-26-11-7-5-8-12-26/h5,7-8,11-16,24-25,27H,6,9-10,17-23,30H2,1-4H3/q+1