cycloheptyl-[(1S)-3-(2-methyl-1H-imidazol-3-ium-3-yl)-1-phenyl-propyl]azanium

Systemtic Name: cycloheptyl-[(1S)-3-(2-methyl-1H-imidazol-3-ium-3-yl)-1-phenyl-propyl]azanium Openeye Name: cycloheptyl-[(1S)-3-(2-methyl-1H-imidazol-3-ium-3-yl)-1-phenyl-propyl]ammonium CAS Name: cycloheptyl-[(1S)-3-(2-methyl-1H-imidazol-3-ium-3-yl)-1-phenylpropyl]ammonium IUPAC Name: cycloheptyl-[(1S)-3-(2-methyl-1H-imidazol-3-ium-3-yl)-1-phenylpropyl]azanium Traditional Name: cycloheptyl-[(1S)-3-(2-methyl-1H-imidazol-3-ium-3-yl)-1-phenyl-propyl]ammonium Formula: C20H31N3+2 MolecularWeight: 313.48024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CN1)CCC(C2=CC=CC=C2)[NH2+]C3CCCCCC3

Isomeric SMILES

CC1=[N+](C=CN1)CC[C@@H](C2=CC=CC=C2)[NH2+]C3CCCCCC3

InChI

InChI=1S/C20H29N3/c1-17-21-14-16-23(17)15-13-20(18-9-5-4-6-10-18)22-19-11-7-2-3-8-12-19/h4-6,9-10,14,16,19-20,22H,2-3,7-8,11-13,15H2,1H3/p+2/t20-/m0/s1