(1S)-2-[2-azanyl-3-(2-piperidin-1-ylethyl)benzimidazol-1-ium-1-yl]-1-(3-bromophenyl)ethanol

Systemtic Name: (1S)-2-[2-azanyl-3-(2-piperidin-1-ylethyl)benzimidazol-1-ium-1-yl]-1-(3-bromophenyl)ethanol Openeye Name: (1S)-2-[2-amino-3-[2-(1-piperidyl)ethyl]benzimidazol-1-ium-1-yl]-1-(3-bromophenyl)ethanol CAS Name: (1S)-2-[2-amino-3-[2-(1-piperidinyl)ethyl]-1-benzimidazol-1-iumyl]-1-(3-bromophenyl)ethanol IUPAC Name: (1S)-2-[2-amino-3-(2-piperidin-1-ylethyl)benzimidazol-1-ium-1-yl]-1-(3-bromophenyl)ethanol Traditional Name: (1S)-2-[2-amino-3-(2-piperidinoethyl)benzimidazol-1-ium-1-yl]-1-(3-bromophenyl)ethanol Formula: C22H28BrN4O+ MolecularWeight: 444.38792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCN2C3=CC=CC=C3[N+](=C2N)CC(C4=CC(=CC=C4)Br)O

Isomeric SMILES

C1CCN(CC1)CCN2C3=CC=CC=C3[N+](=C2N)C[C@H](C4=CC(=CC=C4)Br)O

InChI

InChI=1S/C22H27BrN4O/c23-18-8-6-7-17(15-18)21(28)16-27-20-10-3-2-9-19(20)26(22(27)24)14-13-25-11-4-1-5-12-25/h2-3,6-10,15,21,24,28H,1,4-5,11-14,16H2/p+1/t21-/m1/s1