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N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-2-prop-2-enoxy-benzamide

N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-2-prop-2-enoxy-benzamide

Systemtic Name:N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-2-prop-2-enoxy-benzamide
Openeye Name:2-allyloxy-N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]benzamide
CAS Name:N-[4-(1-azepan-1-iumylmethyl)-2-thiazolyl]-2-prop-2-enoxybenzamide
IUPAC Name:N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-2-prop-2-enoxybenzamide
Traditional Name:2-allyloxy-N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]benzamide
Formula: C20H26N3O2S+
MolecularWeight: 372.50434
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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC=C1C(=O)NC2=NC(=CS2)C[NH+]3CCCCCC3


Isomeric SMILES

C=CCOC1=CC=CC=C1C(=O)NC2=NC(=CS2)C[NH+]3CCCCCC3


InChI

InChI=1S/C20H25N3O2S/c1-2-13-25-18-10-6-5-9-17(18)19(24)22-20-21-16(15-26-20)14-23-11-7-3-4-8-12-23/h2,5-6,9-10,15H,1,3-4,7-8,11-14H2,(H,21,22,24)/p+1


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