[(1S)-1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]butyl]azanium

Systemtic Name: [(1S)-1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]butyl]azanium Openeye Name: [(1S)-1-[1-[(4-isopropylphenyl)methyl]benzimidazol-2-yl]butyl]ammonium CAS Name: [(1S)-1-[1-[(4-propan-2-ylphenyl)methyl]-2-benzimidazolyl]butyl]ammonium IUPAC Name: [(1S)-1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]butyl]azanium Traditional Name: [(1S)-1-[1-(4-isopropylbenzyl)benzimidazol-2-yl]butyl]ammonium Formula: C21H28N3+ MolecularWeight: 322.46712

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)C(C)C)[NH3+]

Isomeric SMILES

CCC[C@@H](C1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)C(C)C)[NH3+]

InChI

InChI=1S/C21H27N3/c1-4-7-18(22)21-23-19-8-5-6-9-20(19)24(21)14-16-10-12-17(13-11-16)15(2)3/h5-6,8-13,15,18H,4,7,14,22H2,1-3H3/p+1/t18-/m0/s1