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N,N-diethyl-2-[2-(4-propylphenyl)sulfanyl-3H-benzimidazol-1-ium-1-yl]ethanamine

N,N-diethyl-2-[2-(4-propylphenyl)sulfanyl-3H-benzimidazol-1-ium-1-yl]ethanamine

Systemtic Name:N,N-diethyl-2-[2-(4-propylphenyl)sulfanyl-3H-benzimidazol-1-ium-1-yl]ethanamine
Openeye Name:N,N-diethyl-2-[2-(4-propylphenyl)sulfanyl-3H-benzimidazol-1-ium-1-yl]ethanamine
CAS Name:N,N-diethyl-2-[2-[(4-propylphenyl)thio]-3H-benzimidazol-1-ium-1-yl]ethanamine
IUPAC Name:N,N-diethyl-2-[2-(4-propylphenyl)sulfanyl-3H-benzimidazol-1-ium-1-yl]ethanamine
Traditional Name:diethyl-[2-[2-[(4-propylphenyl)thio]-3H-benzimidazol-1-ium-1-yl]ethyl]amine
Formula: C22H30N3S+
MolecularWeight: 368.5587
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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)SC2=[N+](C3=CC=CC=C3N2)CCN(CC)CC


Isomeric SMILES

CCCC1=CC=C(C=C1)SC2=[N+](C3=CC=CC=C3N2)CCN(CC)CC


InChI

InChI=1S/C22H29N3S/c1-4-9-18-12-14-19(15-13-18)26-22-23-20-10-7-8-11-21(20)25(22)17-16-24(5-2)6-3/h7-8,10-15H,4-6,9,16-17H2,1-3H3/p+1


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