[(1S)-3-methyl-1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]butyl]azanium

Systemtic Name: [(1S)-3-methyl-1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]butyl]azanium Openeye Name: [(1S)-1-[1-[(4-isopropylphenyl)methyl]benzimidazol-2-yl]-3-methyl-butyl]ammonium CAS Name: [(1S)-3-methyl-1-[1-[(4-propan-2-ylphenyl)methyl]-2-benzimidazolyl]butyl]ammonium IUPAC Name: [(1S)-3-methyl-1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]butyl]azanium Traditional Name: [(1S)-1-[1-(4-isopropylbenzyl)benzimidazol-2-yl]-3-methyl-butyl]ammonium Formula: C22H30N3+ MolecularWeight: 336.4937

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3/c1-15(2)13-19(23)22-24-20-7-5-6-8-21(20)25(22)14-17-9-11-18(12-10-17)16(3)4/h5-12,15-16,19H,13-14,23H2,1-4H3/p+1/t19-/m0/s1