1-[(2S)-2-methylbutyl]-2-(pyrrolidin-1-ium-1-ylmethyl)benzimidazole

Systemtic Name: 1-[(2S)-2-methylbutyl]-2-(pyrrolidin-1-ium-1-ylmethyl)benzimidazole Openeye Name: 1-[(2S)-2-methylbutyl]-2-(pyrrolidin-1-ium-1-ylmethyl)benzimidazole CAS Name: 1-[(2S)-2-methylbutyl]-2-(1-pyrrolidin-1-iumylmethyl)benzimidazole IUPAC Name: 1-[(2S)-2-methylbutyl]-2-(pyrrolidin-1-ium-1-ylmethyl)benzimidazole Traditional Name: 1-[(2S)-2-methylbutyl]-2-(pyrrolidin-1-ium-1-ylmethyl)benzimidazole Formula: C17H26N3+ MolecularWeight: 272.40844

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CN1C2=CC=CC=C2N=C1C[NH+]3CCCC3

Isomeric SMILES

CC[C@H](C)CN1C2=CC=CC=C2N=C1C[NH+]3CCCC3

InChI

InChI=1S/C17H25N3/c1-3-14(2)12-20-16-9-5-4-8-15(16)18-17(20)13-19-10-6-7-11-19/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3/p+1/t14-/m0/s1