methyl-[(3S)-1-[3-(2-methylbenzimidazol-1-yl)propanoyl]piperidin-3-yl]-phenethyl-azanium

Systemtic Name: methyl-[(3S)-1-[3-(2-methylbenzimidazol-1-yl)propanoyl]piperidin-3-yl]-phenethyl-azanium Openeye Name: methyl-[(3S)-1-[3-(2-methylbenzimidazol-1-yl)propanoyl]-3-piperidyl]-phenethyl-ammonium CAS Name: methyl-[(3S)-1-[3-(2-methyl-1-benzimidazolyl)-1-oxopropyl]-3-piperidinyl]-phenethylammonium IUPAC Name: methyl-[(3S)-1-[3-(2-methylbenzimidazol-1-yl)propanoyl]piperidin-3-yl]-phenethylazanium Traditional Name: methyl-[(3S)-1-[3-(2-methylbenzimidazol-1-yl)propanoyl]-3-piperidyl]-phenethyl-ammonium Formula: C25H33N4O+ MolecularWeight: 405.55572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1CCC(=O)N3CCCC(C3)[NH+](C)CCC4=CC=CC=C4

Isomeric SMILES

CC1=NC2=CC=CC=C2N1CCC(=O)N3CCC[C@@H](C3)[NH+](C)CCC4=CC=CC=C4

InChI

InChI=1S/C25H32N4O/c1-20-26-23-12-6-7-13-24(23)29(20)18-15-25(30)28-16-8-11-22(19-28)27(2)17-14-21-9-4-3-5-10-21/h3-7,9-10,12-13,22H,8,11,14-19H2,1-2H3/p+1/t22-/m0/s1